<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">118271</id>
  <title nil="true"/>
  <common-name>Glycine Cresol Red</common-name>
  <description>Glycine Cresol Red belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C29H32N2O9S. With an average molecular weight of 584.64 g/mol, Glycine Cresol Red is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C29H32N2O9S</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-06T01:15:01Z</created-at>
  <updated-at type="dateTime">2026-05-20T19:40:02Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CN(CC(O)=O)CC1=C(O)C(C)=CC(=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(CN(C)CC(O)=O)=C(O)C(C)=C1</moldb-smiles>
  <moldb-formula>C29H32N2O9S</moldb-formula>
  <moldb-inchi>InChI=1S/C29H32N2O9S/c1-17-9-21(11-19(27(17)36)13-30(3)15-25(32)33)29(23-7-5-6-8-24(23)41(38,39)40-29)22-10-18(2)28(37)20(12-22)14-31(4)16-26(34)35/h5-12,36-37H,13-16H2,1-4H3,(H,32,33)(H,34,35)</moldb-inchi>
  <moldb-inchikey>OKYOTYMRDBFYNX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">584.64</moldb-average-mass>
  <moldb-mono-mass type="decimal">584.1828516</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM114164</chemdb-id>
  <dsstox-id>DTXSID00215930</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00093669</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0056500</sync-id>
  <structure-inchikey>OKYOTYMRDBFYNX-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>900000000000040000040400000000210000000000000000000000000000000000000000000004010000080000000000040000000010000000000008100000000004000000000020800000000000200000000000000000000000010000000200000000104000000000000000000000000000200000000000000048000000800000000000000000100000020100000000080000000000000000000000000004000000080100000000080000040800000000800000008000000000000000002000000800000000400000000000002000400200000000000000000000000000000041000000000400000008000000080080000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������)���,���€���`������� ������`�������(�������h��������(�������`������@(������@(�������h�������@(�������`������@h�������@(������@h�������� ������ ������ ������(�������(������@(������@h�������@h�������@h�������@h�������@(������@(������@h�������@(�������`������� ������`�������`�������(�������h��������(������@(�������h�������@(�������`������@h������������������ ��(���������h��	 �
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�����������������$&amp;(�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:43:59Z</structure-indexed-at>
</compound>
